⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16482402 | 0.86 | TLR8 (0.31) | — | |
| SCHEMBL16481914 | 0.85 | CHUK (0.30) | — | |
| SCHEMBL16482305 | 0.84 | TLR8 (0.35) | — | |
| SCHEMBL16465508 | 0.83 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL16482275 | 0.82 | TLR8 (0.37) | — | |
| SCHEMBL16463119 | 0.81 | CDK2 (0.33) | — | |
| SCHEMBL16485072 | 0.80 | CDK1 (0.45) | — | |
| SCHEMBL16462886 | 0.78 | ADORA3 (0.33) | — | |
| SCHEMBL16463307 | 0.77 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL16482199 | 0.77 | NLRP3 (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9364408-B2 | Hair dye agent comprising aminopyrimidine derivatives | HENKEL AG & CO. KGAA (DE) | 2016-06-14 | — | — | US | disclosed |
| US-9364408-B2 | Hair dye agent comprising aminopyrimidine derivatives | HENKEL AG & CO. KGAA (DE) | 2016-06-14 | — | — | US | disclosed |
| US-20150209258-A1 | HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2015-07-30 | — | — | US | disclosed |
| US-20150209258-A1 | HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2015-07-30 | — | — | US | disclosed |
| WO-2014056760-A1 | HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2014-04-17 | — | — | WO | disclosed |